SCHEMBL7443502

SCHEMBL7443502

COc1ccc2c(c1OC)CC(c1ccccc1)CC2CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 5/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.37
TUBB4A P04350 3/20 0.36
TUBB P07437 3/20 0.36
TUBA3C P0DPH7 3/20 0.36
TUBA1B P68363 3/20 0.36
TUBA4A P68366 3/20 0.36
TUBB4B P68371 3/20 0.36
TUBB3 Q13509 3/20 0.36
TUBB2A Q13885 3/20 0.36
TUBB8 Q3ZCM7 3/20 0.36
TUBA3E Q6PEY2 3/20 0.36
TUBA1A Q71U36 3/20 0.36
TUBA1C Q9BQE3 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10380146 1.00 KDM1A (0.40) KDM1AMAOBMAOAALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7444790 0.99 HTR2C (0.39) KDM1AMAOBMAOAALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7311498 0.99 HTR2C (0.39) KDM1AMAOBMAOAALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9802220 0.86 HTR2A (0.47) HTR2AHTR2CHTR2B
SCHEMBL7313122 0.78 ALDH1A1 (0.38) KDM1AMAOBMAOAALDH1A1L3MBTL1
SCHEMBL7321018 0.78 ALDH1A1 (0.46) KDM1AMAOBMAOAALDH1A1L3MBTL1
SCHEMBL7321028 0.76 ALDH1A1 (0.39) KDM1AMAOBMAOAALDH1A1L3MBTL1
SCHEMBL9802420 0.75 DRD1 (0.41) MAOBHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7320424 0.75 CHRNA7 (0.47) MAOBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7451338 0.74 HTR2A (0.40) HTR2AHTR2CHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed